Tag: 300-400

Self-Assembly of Ball-Shaped Molecular Complexes in Water was written by Grawe, Thomas;Schrader, Thomas;Zadmard, Reza;Kraft, Arno. And the article was included in Journal of Organic Chemistry in 2002.Reference of 172606-26-7 The following contents are mentioned in the article:

The authors present a simple and versatile access to spheroidal mol. assemblies with pronounced stability in highly polar solvents. These complexes are composed of doubly and triply charged complementary building blocks based on ammonium or amidinium cations and phosphonate anions. Their high thermodn. stability is best explained by the formation of a cyclic array of alternating pos. and neg. charges interconnected by a regular network of H bonds. Association constants reach 10⁶ M^-1 in methanol and often surpass 10³ M^-1 in water. The broad range of binding energies correlates well with the varying degree of preorganization of both complex partners. As a byproduct of these studies, new recognition motifs for histidine and arginine esters and the unsubstituted guanidinium ion are proposed. The addnl. introduction of Me groups in the 2-, 4-, and 6-positions of the central benzene ring in either cations or anions causes a marked drop in the corresponding K_a values of 1 order of magnitude; the related rotational barriers were estimated at 0.3-2.1 kcal/mol. Spontaneous formation of defined 2:1 complexes from three components also was observed This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Reference of 172606-26-7).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Reference of 172606-26-7

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Coelenterands: a new class of metal-encapsulating ligands was written by Hartshorn, Chris M.;Steel, Peter J.. And the article was included in Angewandte Chemie, International Edition in English in 1996.Application In Synthesis of 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) The following contents are mentioned in the article:

Several salts of I were prepared and the crystal and mol. structures of I[ZnCl₄] were determined by x-ray crystallog. Also, II(PF₆)₂ and the encapsulating ligand were prepared This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Application In Synthesis of 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole)).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns.Application In Synthesis of 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole)

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Origin of the High Affinity and Selectivity of Novel Receptors for NH₄⁺ over K⁺: Charged Hydrogen Bonds vs Cation-π Interaction was written by Oh, Kyung Seok;Lee, Chi-Wan;Choi, Hyuk Soon;Lee, Seok Jong;Kim, Kwang S.. And the article was included in Organic Letters in 2000.Related Products of 172606-26-7 The following contents are mentioned in the article:

Given the recent report of a novel pyrazole receptor exhibiting a high selectivity for NH₄⁺ over K⁺, it would be interesting to investigate the origin of this selectivity and affinity so that better receptors could be designed. On the basis of extensive theor. studies, we conclude that the origin arises from a subtle interplay of charged H-bonds and cation-π interactions. The approach employed herein would be very useful in the rational design of novel functional mol. systems. This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Related Products of 172606-26-7).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns.Related Products of 172606-26-7

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Poly(pyrazol-1-ylmethyl)benzenes: new multidentate ligands was written by Hartshorn, Chris M.;Steel, Peter J.. And the article was included in Australian Journal of Chemistry in 1995.Computed Properties of C21H24N6 The following contents are mentioned in the article:

Twelve new multidentate poly(pyrazol-1-ylmethyl)benzene ligands have been synthesized by phase-transfer catalyzed alkylations of pyrazoles with poly(bromomethyl)benzenes, and their ¹H and ¹³C NMR spectra have been fully assigned. X-Ray crystal structure determinations have been carried out on the tetrachloropalladate salt of the diprotonated form of 1,4-bis(3,5-dimethylpyrazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene and on hexakis(pyrazol-1-ylmethyl)benzene. This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Computed Properties of C21H24N6).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Pyrazoles and pyrimidines have diverse biological and pharmacological activities. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Pyrazofurin is important antimicrobial drug and 2-methylpyrimidine-4-ylamine derivatives I and II were found to be effective inhibitors of Escherichia coli PDHc-E1 with antibacterial and antifungal activity.Computed Properties of C21H24N6

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Self-Assembly of Ball-Shaped Molecular Complexes in Water was written by Grawe, Thomas;Schrader, Thomas;Zadmard, Reza;Kraft, Arno. And the article was included in Journal of Organic Chemistry in 2002.Reference of 172606-26-7 The following contents are mentioned in the article:

The authors present a simple and versatile access to spheroidal mol. assemblies with pronounced stability in highly polar solvents. These complexes are composed of doubly and triply charged complementary building blocks based on ammonium or amidinium cations and phosphonate anions. Their high thermodn. stability is best explained by the formation of a cyclic array of alternating pos. and neg. charges interconnected by a regular network of H bonds. Association constants reach 10⁶ M^-1 in methanol and often surpass 10³ M^-1 in water. The broad range of binding energies correlates well with the varying degree of preorganization of both complex partners. As a byproduct of these studies, new recognition motifs for histidine and arginine esters and the unsubstituted guanidinium ion are proposed. The addnl. introduction of Me groups in the 2-, 4-, and 6-positions of the central benzene ring in either cations or anions causes a marked drop in the corresponding K_a values of 1 order of magnitude; the related rotational barriers were estimated at 0.3-2.1 kcal/mol. Spontaneous formation of defined 2:1 complexes from three components also was observed This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Reference of 172606-26-7).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Reference of 172606-26-7

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Crystalline Ammonium Complexes of Trimethyl- and Triethylbenzene-Based Tripodal Compounds Bearing Pyrazole and Indazole Groups was written by Schulze, Mathias M.;Koch, Niklas;Seichter, Wilhelm;Mazik, Monika. And the article was included in European Journal of Organic Chemistry in 2018.Recommanded Product: 172606-26-7 The following contents are mentioned in the article:

Crystalline complexes of NH₄⁺PF₆^– with trimethyl- and triethylbenzene-based tripodal compounds, bearing either pyrazole or indazole groups, were prepared and characterized by X-ray diffraction studies. The supramol. motifs observed in the crystal structures and the conformations of the tripodal mols. have been the subject of a detailed anal. and are described in this paper. The pyrazole-bearing side arms of the hosts with a trimethylbenzene scaffold are arranged in an aaa fashion and form a cavity including the ammonium ion. In the case of the triethylbenzene derivatives, the fully alternating arrangement of the pyrazole/indazole and Et groups is observed and by taking the Et groups into account, the conformation can be defined as ab’ab’ab’. The conformations observed in the crystals of the free host mols. can be defined as ab’ab’ba’ with the indazole-bearing arms arranged in an aab fashion. The crystal packings of the complexes are, among other things, characterized by the presence of NH···F and CH···F hydrogen bonds as well as by CBr···N and CBr···π halogen bonds in the case of the bromo-substituted derivatives This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Recommanded Product: 172606-26-7).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Recommanded Product: 172606-26-7

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Structural examination of halogen-bonded co-crystals of tritopic acceptors was written by Andree, Stefan N. L.;Sinha, Abhijeet S.;Aakeroy, Christer B.. And the article was included in Molecules in 2018.Application of 172606-26-7 The following contents are mentioned in the article:

A series of tritopic N-heterocyclic compounds containing electrostatically and geometrically equivalent binding sites were synthesized and subjected to systematic co-crystallizations with selected perfluoroiodoarenes in order to map out their structural landscapes. More than 70% of the attempted reactions produced a co-crystal as indicated by IR spectroscopy. Four new crystal structures were reported and in all of them, at least one potential binding site on the acceptor was left vacant. The absence of halogen bonds to all sites was ascribed primarily due to deactivation of the σ-hole on the iodo-arene donors and partially due to steric hindrance. The tritopic acceptors containing 5,6-dimethylbenzimidazole derivatives yield discrete tetrameric aggregates in the solid state, whereas the pyrazole and imidazole analogs assemble into halogen-bonded 1-D chains. This study involved multiple reactions and reactants, such as 1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7Application of 172606-26-7).

1,1′,1”-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-pyrazole) (cas: 172606-26-7) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. The presence of both electronegative nitrogen atoms in the pyrazole ring reduces the electron density of the C3- and C5-positions leaving electron density of C4-position unaltered. Thus the C4-position is vulnerable to electrophilic attack. The C3 electrophilic-position may undergo deprotonation in the presence of a strong base leading to ring opening.Application of 172606-26-7

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Ricard, Simon; Gagnon, Alexandre published an article in 2016, the title of the article was Tricyclohexylphosphine tetrafluoroborate.Electric Literature of 1028092-65-0 And the article contains the following content:

A review. Preparation, properties and application of tricyclohexylphosphonium tetrafluoroborate as a ligand precursor for various cross-coupling reactions, including decarboxylative cross-coupling, direct arylation of aromatic and heteroaromatic compounds, cyclization, cyclopropane ring opening and other reactions are discussed. The experimental process involved the reaction of 3-Phenyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 1028092-65-0).Electric Literature of 1028092-65-0

The Article related to review tricyclohexyl phosphine tetrafluoroborate preparation ligand precursor, Organometallic and Organometalloidal Compounds: Reviews and other aspects.Electric Literature of 1028092-65-0

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

On June 6, 2008, McLaughlin, Mark; Marcantonio, Karen; Chen, Cheng-yi; Davies, Ian W. published an article.Quality Control of 3-Phenyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole The title of the article was A Simple, Modular Method for the Synthesis of 3,4,5-Trisubstituted Pyrazoles. And the article contained the following:

A modular approach for the regiocontrolled preparation of pyrazoles bearing substituents on all three carbon atoms is described. Central to this method is the use of a switchable metal-directing group to enable sequential direct lithiation of the 3- and 5-positions of the pyrazole ring. Pyrazole boronic esters obtained from these lithiated intermediates can undergo efficient Suzuki cross-coupling under the developed nonaqueous conditions, which minimize undesirable protolytic deboronation. Halogenation of the 4-position provides the means for substitution at the remaining carbon atom. The experimental process involved the reaction of 3-Phenyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 1028092-65-0).Quality Control of 3-Phenyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

The Article related to aryl pyrazole regioselective synthesis, pyrazole tetrahydropyranyl regioselective lithiation suzuki coupling aryl halide, tetrahydropyranyl metal directing group, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazoles and other aspects.Quality Control of 3-Phenyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

On July 25, 2019, Blake, James F.; Dai, Donghua; Haas, Julia; Jiang, Yutong; Kolakowski, Gabrielle R.; Metcalf, Andrew T.; Moreno, David A.; Prigaro, Brett; Ren, Li published a patent.Recommanded Product: 1028092-65-0 The title of the patent was Preparation of substituted pyrazolo[3,4-d]pyrimidine compounds as RET kinase inhibitors. And the patent contained the following:

The invention is related to the preparation of compounds I [R1 = (un)substituted 5-membered heteroaryl ring having 2-3 ring heteroatoms independently selected from N, O and S, provided that when R1 is an isoxazolyl ring, then R1 is substituted with 2 specified substituents; R2 = H, alkyl, cyanoalkyl, etc.], their tautomers, stereoisomers, pharmaceutically acceptable salts and solvates, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase. Thus, II was prepared in 5 steps from 5-cyclopropylisoxazole-3-carboxylic acid and malononitrile using isopropylhydrazine hydrochloride, formamide, NBS and 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. I were screened for their ability to inhibit several RET kinase forms (wild type, V804M M918T, G810R, and G810S mutants) (data given for representative compounds I in an enzyme assay and/or cell assay). Pharmaceutical compositions comprising compound I, alone or in combination with an addnl. therapy or therapeutic agent, were disclosed. The experimental process involved the reaction of 3-Phenyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 1028092-65-0).Recommanded Product: 1028092-65-0

The Article related to pyrazolopyrimidine preparation ret kinase inhibitor antitumor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Recommanded Product: 1028092-65-0

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics